SANC00346 Kraussianone 3




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-046-158-408 0.88 CC1(C)OC2=CC=C(C(O)=C2C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
MolPort-046-156-413 0.87 CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C1=COC2=CC(O)=CC=C2C1=O
MCULE-4906359601 0.87 CC1(C)OC2C=CC(C3C(=O)C4C=CC(O)=CC=4OC=3)=C(O)C=2C=C1
MolPort-038-386-091 0.84 CC(C)(O)C(O)CC1=C2OC(C)(C)C=CC2=C2OC=C(C(=O)C2=C1O)C1=C(O)C=C(O)C=C1
MolPort-046-761-011 0.84 CC1(C)OC2=C(C=C1)C(O)=CC=C2C1=COC2=CC(O)=CC(O)=C2C1=O
MolPort-039-338-260 0.84 CC(C)=CCC1=C(O)C=C2OC=C(C(=O)C2=C1O)C1=CC=C2OC(C)(C)C=CC2=C1
MCULE-6667636668 0.84 C12OC(C)(C)C=CC1=C1OC=C(C3C=CC(O)=CC=3O)C(=O)C1=C(O)C=2CC(O)C(O)(C)C
MCULE-1669110017 0.84 C1(O)C=C2OC=C(C3C=C4C=CC(C)(C)OC4=CC=3)C(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-9710764172 0.83 C1(O)C=C2OC=C(C3C=C4C=CC(C)(C)OC4=CC=3)C(=O)C2=C(O)C=1
MolPort-039-338-543 0.83 CC1(C)OC2=CC=C(C=C2C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
MCULE-4536287471 0.82 C12OC(C)(C)C=CC1=C1OC=C(C3C=CC(O)=CC=3O)C(=O)C1=C(O)C=2CC(O)C(C)=C
MolPort-038-386-096 0.82 CC(=C)C(O)CC1=C2OC(C)(C)C=CC2=C2OC=C(C(=O)C2=C1O)C1=C(O)C=C(O)C=C1
MolPort-028-599-888 0.81 CC1(C)OC2=C(C=C1)C=C(C=C2)C1=COC2=CC(O)=CC=C2C1=O
MolPort-019-937-414 0.81 CC1(C)OC2=C(C=C1)C(O)=C1C(=O)C(=COC1=C2)C1=C(O)C=C(O)C=C1
MCULE-5058484967 0.81 C1(O)C=C2OC=C(C3C=C4C=CC(C)(C)OC4=CC=3)C(=O)C2=CC=1
MCULE-6081905892 0.81 C12OC(C)(C)C=CC=1C(O)=C1C(=O)C(C3C=CC(O)=CC=3O)=COC1=C2
MCULE-9883206898 0.81 C12C3OC(C)(C)CCC=3C3=C(C=CC(C)(C)O3)C=1OC=C(C1=CC=C(C=C1)O)C2=O
MolPort-001-913-434 0.81 CC1(C)CCC2=C3OC(C)(C)C=CC3=C3OC=C(C(=O)C3=C2O1)C1=CC=C(O)C=C1
MolPort-005-945-444 0.78 CC(C)=CCC1=C2OC(C)(C)C=CC2=C2OC=C(C(=O)C2=C1O)C1=C(O)C=C(O)C=C1
MCULE-5983659423 0.78 C1(=C2OC(C)(C)C=CC2=C2OC=C(C3C=CC(=CC=3O)O)C(=O)C2=C1O)C/C=C(/C)\C
MCULE-1107301039 0.78 C1(O)C=C2OC=C(C3C=C4C=CC(C)(C)OC4=C(O)C=3)C(=O)C2=C(O)C=1
MCULE-3018809144 0.78 C1(C2C(=O)C3C(=CC4OC(C)(C)C=CC=4C=3O)OC=2)=CC=C(O)C=C1
MolPort-042-624-484 0.78 CC1(C)OC2=C(O)C=C(C=C2C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
MolPort-003-804-185 0.78 CC1(C)OC2=C(C=C1)C(O)=C1C(=O)C(=COC1=C2)C1=CC=C(O)C=C1
MolPort-035-683-208 0.76 CC(=O)OC1=CC=C(C=C1)C1=COC2=CC3=C(C=CC(C)(C)O3)C(O)=C2C1=O
MCULE-5256697366 0.76 CC(=O)OC1C=CC(C2C(=O)C3C(=C4C(=CC=3OC=2)OC(C)(C)C=C4)O)=CC=1
MCULE-7599859422 0.76 C12OC(C)(C)C=CC=1C(O)=C1C(=O)C(C3C(O)=CC(O)=CC=3)=COC1=C2C/C=C(\C)/C
MolPort-039-052-681 0.75 CC1(C)OC2=CC(O)=C3C(=O)C(=COC3=C2C=C1)C1=CC=C(O)C=C1
MCULE-7071226808 0.75 C12OC(C)(C)C=CC1=C1OC=C(C3C=CC(O)=CC=3)C(=O)C1=C(O)C=2
MCULE-2006868290 0.75 C12C(O)=C(C/C=C(/C)\C)C3=C(C=CC(C)(C)O3)C=1OC=C(C1=CC=C(C=C1)O)C2=O
MCULE-7853104874 0.75 C12OC(C)(C)C=CC=1C=C1C(=O)C(C3C=CC(O)=CC=3)=COC1=C2
MCULE-4403418176 0.75 C12OC(C)(CO)C=CC=1C(O)=C1C(=O)C(C3C=CC(O)=CC=3)=COC1=C2
MolPort-001-741-965 0.75 CC(C)=CCC1=C2OC(C)(C)C=CC2=C2OC=C(C(=O)C2=C1O)C1=CC=C(O)C=C1
MolPort-039-338-842 0.75 CC1(C)OC2=C(C=C1)C=C1C(=O)C(=COC1=C2)C1=CC=C(O)C=C1
MolPort-035-705-993 0.75 CC1(CO)OC2=C(C=C1)C(O)=C1C(=O)C(=COC1=C2)C1=CC=C(O)C=C1
MCULE-9553896038 0.73 C12OC(C)(C)C=CC=1C(O)=C1C(=O)C(C3C=CC(O)=CC=3)=COC1=C2C/C=C(/C)\C
MolPort-001-742-714 0.73 CC1(CO)OC2=CC(O)=C3C(=O)C(=COC3=C2C=C1)C1=CC=C(O)C=C1
MolPort-019-997-410 0.73 CC(C)=CCC1=C2OC=C(C(=O)C2=C(O)C2=C1OC(C)(C)C=C2)C1=CC=C(O)C=C1
MolPort-035-705-990 0.72 COC1=CC(OC)=C(OC)C=C1C1=COC2=CC3=C(C=CC(C)(C)O3)C=C2C1=O
MolPort-003-665-850 0.72 CC(C)=CCC1=C2OC(C)(C)C=CC2=C2OC=C(C(=O)C2=C1O)C1=CC(O)=C(O)C=C1
MCULE-2735023400 0.72 C12OC(C)(C)C=CC=1C=C1C(=O)C(C3C(OC)=CC(OC)=C(OC)C=3)=COC1=C2
MCULE-3476922697 0.72 C1(=C2OC(C)(C)C=CC2=C2OC=C(C3C=CC(=C(O)C=3)O)C(=O)C2=C1O)C/C=C(/C)\C
MCULE-4036011682 0.72 O1C2=CC(=C3C(C(=COC3=C2C=CC1(C)C)C1C=C(C(=CC=1OC)OC)OC)=O)O
MolPort-044-181-349 0.72 COC1=CC(OC)=C(C=C1OC)C1=COC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O
MCULE-9698046612 0.70 OC1C(O)=CC(C2=COC3C(C2=O)=C(C2C=CC(C)(C)OC=2C=3C/C=C(\C)/C)O)=CC=1
MolPort-005-945-602 0.70 CC(C)=CCC1=C2OC=C(C(=O)C2=C(O)C2=C1OC(C)(C)C=C2)C1=CC=C(O)C(O)=C1
MCULE-4983502522 0.69 C1=CC2=C(C(C/C=C(/C)\C)=C3OC(=O)C(C4C=CC(O)=CC=4)=C(O)C3=C2OC)OC1(C)C
MolPort-000-425-153 0.68 COC1=C(C=CC=C1)C1=COC2=CC(OC\C=C\C3=CC=CC=C3)=CC=C2C1=O
MolPort-027-718-501 0.68 COC1=CC=C(C=C1)C1=COC2=C3C(CC(=O)OC3=CC(O)=C2C1=O)C1=CC2=CC=CC=C2OC1
MCULE-2443299456 0.68 C1(C2C=CC=CC=2OC)=COC2C(=CC=C(OCC=CC3C=CC=CC=3)C=2)C1=O
MCULE-9479599755 0.68 C12C(O)=CC3=C(C(CC(=O)O3)C3COC4=C(C=CC=C4)C=3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-1354257102 0.68 C12C(O)=CC3=C(C(CC(=O)O3)C3COC4=C(C=CC=C4)C=3)C=1OC=C(C1C=CC(=CC=1)O)C2=O
MolPort-028-856-185 0.68 OC1=CC=C(C=C1)C1=COC2=C3C(CC(=O)OC3=CC(O)=C2C1=O)C1=CC2=CC=CC=C2OC1
MolPort-027-717-974 0.67 COC1=CC=C(C=C1)C1=COC2=C3C(CC(=O)OC3=CC(OC)=C2C1=O)C1=CC2=CC=CC=C2OC1
MolPort-028-856-125 0.67 CC1OC2=CC=CC=C2C=C1C1CC(=O)OC2=CC(O)=C3C(=O)C(=COC3=C12)C1=CC=C(O)C=C1
MolPort-035-705-997 0.67 CC1(C)CCC2=C(O1)C=C1OC=C(C(=O)C1=C2O)C1=CC=C(O)C=C1
MolPort-035-705-998 0.67 CC1(C)CCC2=C(O)C=C3OC=C(C(=O)C3=C2O1)C1=CC=C(O)C=C1
MCULE-3410507284 0.67 C12C(OC)=CC3=C(C(CC(=O)O3)C3COC4=C(C=CC=C4)C=3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-5851590379 0.67 C12C(O)=CC3=C(C(CC(=O)O3)C3C(C)OC4=C(C=CC=C4)C=3)C=1OC=C(C1C=CC(=CC=1)O)C2=O
MCULE-9774749633 0.67 C12OC(C)(C)CCC=1C(O)=C1C(=O)C(C3C=CC(O)=CC=3)=COC1=C2
MCULE-1751943720 0.67 C1(O)C=C2OC=C(C3C=CC(O)=CC=3)C(=O)C2=C2OC(C)(C)CCC=12
MCULE-7440039211 0.67 O=C1C(C2C=C3OCOC3=CC=2OC)=COC2C1=CC=C1OC(C)(C)C=CC1=2
MolPort-039-338-848 0.66 CC1(C)CCC2=CC(=CC=C2O1)C1=COC2=CC(O)=CC=C2C1=O
MCULE-2185072336 0.66 C1(O)C=C2OC=C(C3C=C4CCC(C)(C)OC4=CC=3)C(=O)C2=CC=1
MCULE-7133606865 0.66 C1(C2=CC=C3C(OCCO3)=C2)=COC2C(=CC(=C(OCC=CC3C=CC=CC=3)C=2)CC)C1=O
MCULE-3496672631 0.66 C1(O)C=C2OC=C(C3C(O)=CC(OC)=CC=3)C(=O)C2=C(O)C=1C/C=C(\C)/C
MolPort-000-424-885 0.66 CCC1=C(OC\C=C\C2=CC=CC=C2)C=C2OC=C(C(=O)C2=C1)C1=CC2=C(OCCO2)C=C1
MolPort-046-508-990 0.66 COC1=CC=C(C(O)=C1)C1=COC2=CC(O)=C(CC=C(C)C)C(O)=C2C1=O
MolPort-039-057-692 0.65 O=C1CC(C2=CC3=CC=CC=C3OC2)C2=C3OC=C(C(=O)C3=CC=C2O1)C1=CC=CC=C1
MolPort-023-274-353 0.65 COC1=C(OC)C=C(C=C1)C1=COC2=C3C=CC(C)(C)OC3=C(OC)C=C2C1=O
MolPort-039-056-678 0.65 OC1=C2C(=O)C(=COC2=C2C(CC(=O)OC2=C1)C1=CC2=CC=CC=C2OC1)C1=CC=C(Cl)C=C1
MolPort-000-451-243 0.65 COC1=C(C=CC=C1)C1=COC2=CC(OC(=O)\C=C\C3=CC=CC=C3)=CC=C2C1=O
MolPort-044-275-652 0.65 COC1=CC=CC=C1C1=COC2=CC(OC(=O)C=CC3=CC=CC=C3)=CC=C2C1=O
MCULE-4163909795 0.65 C12=C(OC)C3C=CC(C)(C)OC=3C(C/C=C(/C)\C)=C1OC(=O)C(C1C=CC(=CC=1)O)=C2OC(C)=O
MCULE-3720141746 0.65 C12OC=C(C(=O)C1=CC=C1OC(CC(C3COC4=C(C=CC=C4)C=3)C=21)=O)C1C=CC=CC=1
MCULE-3358442738 0.65 C12=CC(OC)=C3C(C=CC(C)(C)O3)=C1OC=C(C1=CC=C(C(OC)=C1)OC)C2=O
MCULE-8435892896 0.65 C12C(O)=CC3=C(C(CC(=O)O3)C3COC4=C(C=CC=C4)C=3)C=1OC=C(C1=CC=C(C=C1)Cl)C2=O
MCULE-4986308618 0.65 C1(C2C=CC=CC=2OC)=COC2C(=CC=C(OC(=O)C=CC3=CC=CC=C3)C=2)C1=O
MCULE-9897221152 0.65 C12C(O)=CC3=C(C(CC(=O)O3)C3COC4=C(C=CC=C4)C=3)C=1OC=C(C1=CC=C(C(OC)=C1)OC)C2=O
MolPort-039-195-357 0.65 COC1=C(OC)C=C(C=C1)C1=COC2=C3C(CC(=O)OC3=CC(O)=C2C1=O)C1=CC2=CC=CC=C2OC1
MolPort-039-052-395 0.64 CC(C)(O)CCC1=C(OC2=C3C=CC(C)(C)OC3=CC(O)=C2C1=O)C1=CC=C(O)C=C1O
MolPort-000-674-787 0.64 CC(C)C1=CC=C(\C=C\C(=O)OC2=CC=C3C(OC=C(C3=O)C3=CC=CC=C3)=C2)C=C1
MCULE-9600420350 0.64 C12OC(C)(C)C=CC1=C1OC(C3C(O)=CC(O)=CC=3)=C(CCC(O)(C)C)C(=O)C1=C(O)C=2
MCULE-6258956471 0.64 C1(C2C=CC=CC=2)=COC2C(=CC=C(OC(=O)C=CC3C=CC(=CC=3)C(C)C)C=2)C1=O
MCULE-2861207948 0.64 C12OC=C(C(=O)C1=CC=C(O)C=2C(C1C=CC(=CC=1)OCC(C)=C)CC(OC)=O)C1=CC=C(C=C1)O
MCULE-1158432248 0.64 C12OC(C(O)(C)C)CC=1C(O)=C1C(=O)C(C3C=CC(O)=CC=3)=COC1=C2
MolPort-028-854-862 0.64 COC(=O)CC(C1=CC=C(OCC(C)=C)C=C1)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1
MolPort-035-705-992 0.64 CC(C)(O)C1CC2=C(O1)C=C1OC=C(C(=O)C1=C2O)C1=CC=C(O)C=C1
MolPort-028-854-821 0.63 COC1=CC=C(C=C1)C1=COC2=C3C(CC(=O)OC3=CC(O)=C2C1=O)C1=CC=C(OCC(C)=C)C=C1
MolPort-039-056-876 0.63 FC1=CC=C(C=C1)C1=COC2=C3C(CC(=O)OC3=CC=C2C1=O)C1=CC2=CC=CC=C2OC1
MCULE-9740213223 0.63 C1(C2=CC=C(OC)C=C2)C(=O)OC2C(=C(OC)C3=C(OC(CC3)(C)C)C=2)C=1O
MCULE-6114132196 0.63 C12C(O)=CC3=C(C(C4C=CC(=CC=4)OCC(C)=C)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-5342900764 0.63 C12OC=C(C(=O)C=1C=CC1OC(CC(C3COC4=C(C=CC=C4)C=3)C2=1)=O)C1C=CC(=CC=1)F
MCULE-5245285412 0.63 C1OC2=CC(O)=CC=C2C(=O)C=1C1=C(O)C=C(OC)C(C/C=C(/C)\C)=C1OC
MCULE-3388982386 0.63 C1(C2C=CC=CC=2OC)=COC2C(=CC=C(OC/C=C(\C)/C)C=2)C1=O
MCULE-6184421891 0.63 C1(O)C=C2OC=C(C3C(OC)=C(C/C=C(\C)/C)C(O)=CC=3O)C(=O)C2=CC=1
MolPort-046-153-727 0.63 COC1=C(CC=C(C)C)C(OC)=C(C(O)=C1)C1=COC2=CC(O)=CC=C2C1=O
MolPort-000-425-150 0.63 COC1=C(C=CC=C1)C1=COC2=CC(OCC=C(C)C)=CC=C2C1=O
MolPort-006-668-600 0.63 COC1=C(CC=C(C)C)C(O)=CC(O)=C1C1=COC2=CC(O)=CC=C2C1=O
MolPort-028-856-338 0.63 COC(=O)CC(C1=CC=C(OCC(C)=C)C=C1)C1=C2OC=C(C(=O)C2=CC=C1OC)C1=CC=C(OC)C=C1
MolPort-000-425-154 0.62 COC1=CC=C(C=C1)C1=C(C)OC2=CC(OC\C=C\C3=CC=CC=C3)=CC=C2C1=O
MolPort-001-736-557 0.62 CC(C)(C=C)C1=C2OC3=C(O)C(O)=CC=C3C(=O)C2=C(O)C2=C1OC(C)(C)C=C2
MolPort-000-218-996 0.62 O=C(OC1=CC=C2C(=O)C(=COC2=C1)C1=CC=CC=C1)\C=C\C1=CC=CC=C1
MolPort-039-141-954 0.62 CC(C)=CCC1=C(O)C=C2OC=C(C(=O)C2=C1O)C1=CC=C(O)C(CC(O)C(C)=C)=C1
MolPort-002-511-509 0.62 CCCCC1=C(OC(C)=O)C=C2OC=C(C(=O)C2=C1)C1=CC=CC=C1
MolPort-001-742-693 0.62 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3(C)OC4=C(C=C3)C(O)=C3C(=O)C(=COC3=C4)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
MolPort-000-676-124 0.62 COC1=CC(\C=C\C(=O)OC2=CC=C3C(OC=C(C3=O)C3=CC=CC=C3)=C2)=CC(OC)=C1OC
MCULE-2020070436 0.62 C12OC=C(C(=O)C1=CC=C(OC)C=2C(C1=CC=C(C=C1)OCC(C)=C)CC(OC)=O)C1=CC=C(C=C1)OC
MCULE-9958596796 0.62 C1(C2C=CC(=CC=2)OC)=C(C)OC2C(=CC=C(OCC=CC3C=CC=CC=3)C=2)C1=O
MCULE-6706146422 0.62 C1C=C2C(=O)C3C(O)=C4C=CC(C)(C)OC4=C(C(C)(C)C=C)C=3OC2=C(O)C=1O
MCULE-4931982193 0.62 C1(C2C=CC=CC=2)=COC2C(=CC=C(OC(=O)C=CC3C=CC=CC=3)C=2)C1=O
MCULE-8426595622 0.62 C1(O)C=C2OC=C(C3C=C(CC(O)C(=C)C)C(O)=CC=3)C(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-1068638417 0.62 OC1=CC=C(C2=COC3=CC4OC(C)(CO[C@@H]5O[C@H](CO[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C=CC=4C(=C3C2=O)O)C=C1
MCULE-6016168587 0.62 C1(C2=CC=CC=C2)=COC2=C(C=C(C(OC(C)=O)=C2)CCCC)C1=O
MCULE-1856317678 0.62 C1(C2C=CC=CC=2)=COC2C(=CC=C(OC(=O)C=CC3=CC(OC)=C(C(OC)=C3)OC)C=2)C1=O
MCULE-9577063565 0.62 C1(O)C=C2OC=C(C3C(O)=C(C/C=C(\C)/C)C(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-9030975799 0.62 C1(C2=CC=C3C(OCCO3)=C2)=C(C)OC2C(=CC(=C(OCC=CC3C=CC=CC=3)C=2)CC)C1=O
MCULE-7414082041 0.62 C1(C2C=CC=CC=2)=COC2C(=CC=C(OC(=O)C=CC3C=CC(=CC=3)C)C=2)C1=O
MCULE-4757839799 0.62 C12C(O)=C3C(OC(C=C3)(C)C)=CC=1OC1C=CC(OC(C)=O)=CC=1C2=O
MCULE-5232464883 0.62 C12=C(C)C3OC4(CCCC(C)C4)C=CC=3C=C1C1=C(CCC1)C(=O)O2
MolPort-042-624-483 0.62 CC(C)=CCC1=C(O)C(=CC=C1O)C1=COC2=CC(O)=CC(O)=C2C1=O
MolPort-000-424-883 0.62 CCC1=C(OC\C=C\C2=CC=CC=C2)C=C2OC(C)=C(C(=O)C2=C1)C1=CC2=C(OCCO2)C=C1
MolPort-000-669-882 0.62 CC1=CC=C(\C=C\C(=O)OC2=CC=C3C(OC=C(C3=O)C3=CC=CC=C3)=C2)C=C1
MolPort-046-760-998 0.61 CC1(C)OC2=C(C=C1)C(O)=C1C(=O)C3=CC=CC(O)=C3OC1=C2
MolPort-028-855-719 0.61 CC(=C)COC1=C(C=CC=C1)C1CC(=O)OC2=CC(O)=C3C(=O)C(=COC3=C12)C1=CC=C(O)C=C1
MolPort-044-180-265 0.61 COC1=C(C=CC=C1)C1=COC2=C3C(CC(C)C)CC(=O)OC3=CC(O)=C2C1=O
MolPort-028-856-249 0.61 COC1=CC=C(C=C1)C1=COC2=C3C(CC(=O)OC3=CC(OC)=C2C1=O)C1=C(OCC(C)=C)C=CC=C1
MolPort-029-885-498 0.61 CC(=C)COC1=CC=C(C=C1)C1CC(=O)OC2=CC=C3C(=O)C(=COC3=C12)C1=CC=C(O)C=C1
MolPort-044-179-290 0.61 COC1=CC=C(C=C1)C1CC(=O)OC2=CC(O)=C3C(=O)C(=COC3=C12)C1=C(OC)C=CC=C1
MolPort-028-610-087 0.61 COC1=C(CC=C(C)C)C(O)=C2C(=O)C(=COC2=C1CC=C(C)C)C1=CC=C(O)C=C1O
MolPort-000-676-107 0.61 COC1=CC=C(\C=C\C(=O)OC2=CC=C3C(OC=C(C3=O)C3=CC=CC=C3)=C2)C=C1OC
MolPort-001-740-894 0.61 CC(C)=CCC1=C(O)C=C2OC=C(C(=O)C2=C1O)C1=C(O)C=C(O)C=C1
MolPort-039-142-019 0.61 CC(C)(O)[C@H]1OC2=C([C@@H]1O)C(O)=C1C(OC=C(C3=CC=C(O)C=C3)C1=O)=C2
MCULE-1767342950 0.61 C12C(O)=CC3=C(C(CC(C)C)CC(=O)O3)C=1OC=C(C1=CC=CC=C1OC)C2=O
MCULE-8182143303 0.61 C12C(O)=CC3=C(C(CC(=O)O3)C3C=CC=CC=3OCC(C)=C)C=1OC=C(C1C=CC(=CC=1)O)C2=O
MCULE-6724003124 0.61 C12C(OC)=CC3=C(C(CC(=O)O3)C3C=CC=CC=3OCC(C)=C)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-5293175257 0.61 C12OC=C(C(=O)C1=CC=C1OC(CC(C3=CC=C(C=C3)OCC(C)=C)C=21)=O)C1=CC=C(C=C1)O
MCULE-1911979431 0.61 C12C(O)=CC3=C(C(C4C=CC(=CC=4)OC)CC(=O)O3)C=1OC=C(C1=CC=CC=C1OC)C2=O
MCULE-4439679292 0.61 C1(C2C=CC=CC=2)=COC2C(=CC=C(OC(=O)C=CC3C=CC(=C(OC)C=3)OC)C=2)C1=O
MCULE-2694509377 0.61 C1(O)C=C2OC=C(C3C(O)=CC(O)=CC=3)C(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-6930369995 0.61 C12O[C@H](C(O)(C)C)[C@@H](O)C=1C(O)=C1C(=O)C(C3C=CC(O)=CC=3)=COC1=C2
MCULE-7477910874 0.61 C1(O)C=C2OC=C(C3C(O)=C(C/C=C(\C)/C)C(O)=CC=3)C(=O)C2=CC=1
MCULE-6726769849 0.61 CCCCCCC1=C(OC(C)=O)C=C2C(C(C(C3=CC=CC=C3)=CO2)=O)=C1
MCULE-1236765649 0.61 C1(C2C=CC(=CC=2)Br)=COC2C(=CC=C(OC(=O)C=CC3=CC=CC=C3)C=2)C1=O
MCULE-7271133087 0.61 C12C(O)=CC3=C(C(C(C)C)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-6316078357 0.61 C12C(O)=CC3=C(C(C4C=CC(=CC=4)O)CC(=O)O3)C=1OC=C(C1=CC=CC=C1OC)C2=O
MCULE-3944741029 0.61 C12C(O)=CC3=C(C(CC(C)C)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-6090574411 0.61 C1(C2C=CC=CC=2)=COC2=C(C=C(C(OC)=C2)CCCC)C1=O
MCULE-8461485723 0.61 C12OC=C(C(=O)C1=CC=C(O)C=2C(C1=CC=C(C=C1)OC(C)C)CC(OC)=O)C1=CC=C(C=C1)O
MCULE-5800731793 0.61 C12C(O)=CC3=C(C(CC(=O)O3)C3C=CC(=CC=3OC)OC)C=1OC=C(C1=CC=CC=C1OC)C2=O
MolPort-002-509-103 0.61 CCCCCCC1=C(OC(C)=O)C=C2OC=C(C(=O)C2=C1)C1=CC=CC=C1
MolPort-039-141-986 0.61 CC(C)=CCC1=C(O)C=CC(=C1O)C1=COC2=CC(O)=CC=C2C1=O
MolPort-000-451-247 0.61 BrC1=CC=C(C=C1)C1=COC2=CC(OC(=O)\C=C\C3=CC=CC=C3)=CC=C2C1=O
MolPort-027-718-486 0.61 COC1=CC=C(C=C1)C1=COC2=C3C(CC(=O)OC3=CC(O)=C2C1=O)C(C)C
MolPort-044-179-632 0.61 COC1=C(C=CC=C1)C1=COC2=C3C(CC(=O)OC3=CC(O)=C2C1=O)C1=CC=C(O)C=C1
MolPort-002-508-397 0.61 CCCCC1=C(OC)C=C2OC=C(C(=O)C2=C1)C1=CC=CC=C1
MolPort-027-718-699 0.61 COC1=CC=C(C=C1)C1=COC2=C3C(CC(C)C)CC(=O)OC3=CC(O)=C2C1=O
MolPort-028-855-707 0.61 COC(=O)CC(C1=CC=C(OC(C)C)C=C1)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1
MolPort-044-180-729 0.61 COC1=CC(OC)=C(C=C1)C1CC(=O)OC2=CC(O)=C3C(=O)C(=COC3=C12)C1=C(OC)C=CC=C1
MolPort-002-511-311 0.60 CCC1=C(OC)C=C2OC=C(C(=O)C2=C1)C1=CC=C(OC(C)C)C=C1
MolPort-000-425-096 0.60 COC1=C(C=CC=C1)C1=COC2=CC(OCC(C)=C)=CC=C2C1=O
MolPort-028-856-272 0.60 CC(C)C1CC(=O)OC2=CC(O)=C3C(=O)C(=COC3=C12)C1=CC=C(O)C=C1
MolPort-044-385-549 0.60 COC1=CC=CC=C1C1=C(C)OC2=CC(OC(=O)C=CC3=CC=CC=C3)=CC=C2C1=O
MolPort-000-451-284 0.60 COC1=C(C=CC=C1)C1=C(C)OC2=CC(OC(=O)\C=C\C3=CC=CC=C3)=CC=C2C1=O
MolPort-005-945-202 0.60 CCC(C)C(=O)C1=C2OC(C)(C)C=CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O
MolPort-028-855-437 0.60 COC(=O)CC(C1=CC=C(OCC(C)C)C=C1)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1
MolPort-002-510-310 0.60 CCCC1=C(OC(C)=O)C=C2OC=C(C(=O)C2=C1)C1=CC=CC=C1
MolPort-002-530-877 0.60 COC1=CC(OC)=C(C=C1)C1=CC2=CC=C(OCC=C(C)C)C=C2OC1=O
MolPort-001-741-497 0.60 COC1=C2C(=O)C=C(OC2=C2C=CC(C)(C)OC2=C1)C1=CC=CC=C1
MolPort-027-718-198 0.60 COC1=CC=C(C=C1)C1=COC2=C3C(CC(=O)OC3=CC(OC)=C2C1=O)C(C)C
MolPort-042-624-495 0.60 CC(C)=CCC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C2=C1OC(C)(C)C=C2
MolPort-035-706-486 0.60 COC1=CC(O)=C2C(=O)C3=CC4=C(OC(C)(C)C=C4)C(O)=C3OC2=C1CC=C(C)C
MolPort-000-425-151 0.60 CCC1=C(OCC=C(C)C)C=C2OC=C(C(=O)C2=C1)C1=CC2=C(OCCO2)C=C1
MolPort-044-179-456 0.60 CC(C)CC1CC(=O)OC2=CC(O)=C3C(=O)C(=COC3=C12)C1=CC=CC=C1
MolPort-028-855-125 0.60 CC(C)CC1CC(=O)OC2=CC(O)=C3C(=O)C(=COC3=C12)C1=CC=C(O)C=C1
MolPort-044-385-548 0.60 COC1=CC=C(C=C1OC)C1=COC2=CC(OC(=O)C=CC3=CC=CC=C3)=CC=C2C1=O
MolPort-000-451-244 0.60 COC1=CC=C(C=C1)C1=C(C)OC2=CC(OC(=O)\C=C\C3=CC=CC=C3)=CC=C2C1=O
MolPort-000-451-246 0.60 COC1=C(OC)C=C(C=C1)C1=COC2=CC(OC(=O)\C=C\C3=CC=CC=C3)=CC=C2C1=O
MolPort-005-944-619 0.60 CC1(C)OC2=C(C=C1)C(O)=C1C(=O)C=C(OC1=C2)C1=CC=C(O)C=C1
MolPort-039-141-800 0.60 CC1(C)OC2=CC(O)=C3C(=O)C=C(OC3=C2C=C1)C1=CC=C(O)C=C1
MolPort-027-718-518 0.60 COC1=CC=C(C=C1)C1=COC2=C3C(CC(C)C)CC(=O)OC3=CC(OC)=C2C1=O
MolPort-002-508-724 0.60 CCC1=C(OC(C)=O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(OC)C=C1
MolPort-002-508-670 0.60 CCC1=C(OC(C)=O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(OC(C)C)C=C1
MolPort-044-237-968 0.60 FC1=CC=C(C=CC(=O)OC2=CC=C3C(OC=C(C3=O)C3=CC=CC=C3)=C2)C=C1
MolPort-000-669-887 0.60 FC1=CC=C(\C=C\C(=O)OC2=CC=C3C(OC=C(C3=O)C3=CC=CC=C3)=C2)C=C1
MCULE-7013333859 0.60 C1(C2C=CC(=CC=2)OC(C)C)=COC2=C(C=C(C(OC)=C2)CC)C1=O
MCULE-4801382202 0.60 C1(C2C=CC=CC=2OC)=COC2C(=CC=C(OCC(C)=C)C=2)C1=O
MCULE-5413877543 0.60 C12C(O)=CC3=C(C(C(C)C)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)O)C2=O
MCULE-6709307289 0.60 C1(C2C=CC=CC=2OC)=C(C)OC2C(=CC=C(OC(=O)C=CC3C=CC=CC=3)C=2)C1=O
MCULE-2376660047 0.60 O=C1C=C(C2=C(O)C(C(C(C)CC)=O)=C3OC(C)(C)C=CC3=C2O1)C1=CC=CC=C1
MCULE-7218574716 0.60 C1(C2=CC=CC=C2)=COC2=C(C=C(C(OC(C)=O)=C2)CCC)C1=O
MCULE-4481948697 0.60 C1(C2C=CC(=CC=2OC)OC)=CC2=CC=C(C=C2OC1=O)OC/C=C(/C)\C
MCULE-8944950672 0.60 C12OC=C(C(=O)C1=CC=C(O)C=2C(C1=CC=C(C=C1)OCC(C)C)CC(OC)=O)C1=CC=C(C=C1)O
MCULE-1281870055 0.60 C12C(OC)=CC3=C(C(C(C)C)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-5353680333 0.60 C1C(OC)=C2C(C=C(C3=CC=CC=C3)OC2=C2C=CC(C)(C)OC2=1)=O
MCULE-7158841588 0.60 C1(C2=CC=C(C(OC)=C2)OC)=COC2C(=CC=C(OC(=O)C=CC3C=CC=CC=3)C=2)C1=O
MCULE-6104604631 0.60 C1(C2=CC=C3C(OCCO3)=C2)=COC2C(=CC(=C(OC/C=C(\C)/C)C=2)CC)C1=O
MCULE-8677592845 0.60 C1(C2C=CC(=CC=2)OC)=C(C)OC2C(=CC=C(OC(=O)C=CC3C=CC=CC=3)C=2)C1=O
MCULE-1498181538 0.60 C1(=C2C(C=C(C3=CC=C(O)C=C3)OC2=CC2OC(C)(C)C=CC=21)=O)O
MCULE-5274528788 0.60 C12C(O)=CC3=C(C(CC(C)C)CC(=O)O3)C=1OC=C(C1=CC=CC=C1)C2=O
MCULE-5952943329 0.60 C12C=CC(C)(C)OC=1C(O)=C1OC3C(C/C=C(\C)/C)=C(OC)C=C(O)C=3C(=O)C1=C2
MCULE-1994821035 0.60 C12C(O)=CC3=C(C(CC(C)C)CC(=O)O3)C=1OC=C(C1=CC=C(C=C1)O)C2=O
MCULE-7721849185 0.60 C1(C2=C3OC(C)(C)C=CC3=C(O)C=C2)OC2=CC(O)=CC(O)=C2C(=O)C=1C/C=C(/C)\C
MCULE-9642674949 0.60 C1(C2C=CC(=CC=2)OC)=COC2=C(C=C(C(OC(C)=O)=C2)CC)C1=O
MCULE-1500087633 0.60 C1(C2C=CC(=CC=2)OC(C)C)=COC2=C(C=C(C(OC(C)=O)=C2)CC)C1=O
MCULE-9357202282 0.60 C12OC(C)(C)C=CC1=C1OC(C3C=CC(O)=CC=3)=CC(=O)C1=C(O)C=2
MCULE-4566515366 0.60 C12C(OC)=CC3=C(C(CC(C)C)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-1398376527 0.60 C1(C2=CC=CC=C2)=COC2C(=CC=C(OC(=O)C=CC3=CC=C(C=C3)F)C=2)C1=O
MCULE-8788921254 0.60 C12C(O)=CC3=C(C(C4C=CC(=CC=4)OC(C)C)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)O)C2=O
MCULE-9830188153 0.60 C12C(O)=CC3=C(C(C4C=CC(=CC=4)O)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-1726348604 0.60 C12C(O)=CC3=C(C(C4=CC=C(C=C4)OC)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)O)C2=O
MCULE-3516711521 0.60 C12C(O)=CC3=C(C(CC(=O)O3)C3C=CC(=C4C=CC=CC=34)OC)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-2074989976 0.60 C12C(O)=CC3=C(C(C4=CC=C(C=C4)OC)CC(=O)O3)C=1OC=C(C1=CC=CC=C1)C2=O
MCULE-4735832992 0.60 C12C(O)=CC3=C(C(C4=CC=C(C=C4)OC(C)C)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-5116369020 0.60 C12C(O)=CC3=C(C(C4=CC=C(C=C4)OCC(C)C)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-3997294671 0.60 C12C(O)=CC3=C(C(CC(=O)O3)C3C=CC=C4C=CC=CC=34)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-1845009466 0.60 C12C(O)=CC3=C(C(C4=CC=CC=C4)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-5762279548 0.60 C12C(O)=CC3=C(C(C4C=CC(=CC=4)OC)CC(=O)O3)C=1OC=C(C1C=CC(=CC=1)OC)C2=O
MCULE-8058483691 0.60 C1(C2C=CC=CC=2)=COC2C(=CC=C(C=2)OC(=O)C(C#N)=CC2C=CC=CC=2)C1=O
MCULE-3766183915 0.60 C12OC=C(C(=O)C1=CC=C(O)C=2C(CC(OC)=O)C1C=CC=CC=1OC(C)C)C1=CC=C(C=C1)O
MCULE-5239399508 0.60 C1(O)C=C2OC=C(C3C=C(C/C=C(\C)/C)C(O)=CC=3)C(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-6192691362 0.60 C12C(O)=CC3=C(C(CC(=O)O3)C3=COC4=C(C=CC=C4)C3=O)C=1OC=C(C1=CC=CC=C1OC)C2=O
MCULE-7594898185 0.60 C12C(O)=CC3=C(C(C4C=CC(=CC=4)OCC(C)=C)CC(=O)O3)C=1OC=C(C1=CC=C(C(OC)=C1)OC)C2=O